2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine

C14H20ClNO2 — CID 116522398

IUPAC2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine
SMILESCc1ccc(OCC2CCC(C)(C)O2)c(CCl)n1
InChIInChI=1S/C14H20ClNO2/c1-10-4-5-13(12(8-15)16-10)17-9-11-6-7-14(2,3)18-11/h4-5,11H,6-9H2,1-3H3
InChIKeySPEKDDJCLASKKR-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.47
Rot. Bonds4

About 2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine

2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine (PubChem CID 116522398) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine
PubChem CID116522398
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine
SMILESCc1ccc(OCC2CCC(C)(C)O2)c(CCl)n1
InChIInChI=1S/C14H20ClNO2/c1-10-4-5-13(12(8-15)16-10)17-9-11-6-7-14(2,3)18-11/h4-5,11H,6-9H2,1-3H3
InChIKeySPEKDDJCLASKKR-UHFFFAOYSA-N
XLogP3.47
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane
CID 116522378
5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
CID 116522368
5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522351
[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol
CID 102898657
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline
CID 116520626
2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
CID 116524402
2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine
CID 79168865
5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522374
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide
CID 116522447
1-[5-chloro-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520800
[2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine
CID 116520606

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine?
The IUPAC name of 2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine (CID 116522398) is 2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine.
What is the SMILES notation for 2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine?
The canonical SMILES for 2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine is Cc1ccc(OCC2CCC(C)(C)O2)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine?
The InChIKey is SPEKDDJCLASKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10-4-5-13(12(8-15)16-10)17-9-11-6-7-14(2,3)18-11/h4-5,11H,6-9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine?
2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine has a molecular weight of 269.77 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine is sourced from PubChem (CID 116522398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).